相关论文: Liquid-vapour transition of the long range Yukawa …
Thermodynamic consistency of the Mean Spherical Approximation as well as the Self-Consistent Ornstein-Zernike Approximation (SCOZA) with the virial route to thermodynamics is analyzed in terms of renormalized gamma-ordering. For continuum…
A smooth cut-off formulation of the Hierarchical Reference Theory (HRT) is developed and applied to a Yukawa fluid. The HRT equations are derived and numerically solved leading to: the expected renormalization group structure in the…
A thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA) is applied to a fluid of spherical particles with a pair potential given by a hard-core repulsion and a Yukawa attractive tail $w(r)=-\exp [-z(r-1)]/r$. This…
We study a model for an argon-like fluid parameterised in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behaviour of the model is obtained from the thermodynamically self-consistent Ornstein-Zernike…
Coexistence properties of the hard-core attractive Yukawa potential with inverse-range parameter kappa=9, 10, 12 and 15 are calculated by applying canonical Monte Carlo simulation. As previously shown for longer ranges, we show that also…
We provide a comprehensive presentation of the Hierarchical Reference Theory (HRT) in the smooth cut-off formulation. A simple and self-consistent derivation of the hierarchy of differential equations is supplemented by a comparison with…
Combining renormalization group theoretical ideas with the integral equation approach to fluid structure and thermodynamics, the Hierarchical Reference Theory is known to be successful even in the vicinity of the critical point and for…
The Hierarchical Reference Theory (HRT) and the Self-Consistent Ornstein-Zernike Approximation (SCOZA) are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as phase separation and…
The hierarchical reference theory (HRT) and the self-consistent Ornstein-Zernike approximation (SCOZA) are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as the phase…
The phase diagram of the attractive hard-core Yukawa fluid derived previously [M. Robles and M. L\'opez de Haro, J. Phys. Chem. C 111, 15957 (2007)] is used to obtain the liquid-vapor coexistence curve of real water. To this end, the value…
High temperature approximation (HTA) is used to describe the phase behavior of polydisperse multi-Yukawa hard-sphere chain fluid mixtures with chain length polydispersity. It is demonstrated that in the frames of the HTA the model belongs…
We study a simple modification of the optimized random phase approximation (ORPA) aimed at improving the performance of the theory for interactions with a narrow attractive well by taking into account contributions to the direct correlation…
We perform Monte Carlo simulations on the hard-core attractive Yukawa system to test the Optimized Baxter Model that was introduced in [P.Prinsen and T. Odijk, J. Chem. Phys. 121, p.6525 (2004)] to study a fluid phase of spherical particles…
The entropy of strongly coupled Yukawa fluids is discussed from several perspectives. First, it is demonstrated that a vibrational paradigm of atomic dynamics in dense fluids can be used to obtain a simple and accurate estimate of the…
The effective interaction between two planar walls immersed in a fluid is investigated by use of Density Functional Theory in the super-critical region of the phase diagram. A hard core Yukawa model of fluid is studied with special…
The results of a recent fluid theory for the multipole modes of a Yukawa plasma in a spherical confinement [H. K\"{a}hlert and M. Bonitz, Phys. Rev. E \textbf{82}, 036407 (2010)] are compared with molecular dynamics simulations and the…
The phase diagram of two-dimensional continuous particle systems is studied using Event-Chain Monte Carlo. For soft disks with repulsive power-law interactions $\propto r^{-n}$ with $n \gtrsim 6$, the recently established hard-disk melting…
A theoretical study on the equation of state and the critical point behavior of hard-core double-Yukawa fluids is presented. Thermodynamic perturbation theory, restricted to first order in the inverse temperature and having the hard-sphere…
This thesis explores the evolution of liquid-state theories based on the Ornstein-Zernike (OZ) equation, summarizing the foundational methods developed by Baxter, Lebowitz, Wertheim, and others. A unifying feature of these approaches is…
The Ornstein-Zernike equation is a powerful tool in liquid state theory for predicting structural and thermodynamic properties of fluids. Combined with a suitable closure, it has been shown to reproduce e.g. the static structure factor,…